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2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione

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Origin: China

Cas No: 490-91-5

Specification: 99%min

Min order Quantity: 1 /kg

Supply Ability: 50 mt/month

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  • Products Specification
  • Product Description
  • Property

    CAS No.: 490-91-5 Formula: C10H12O2 Molecular Weight: 164.20100

    Description

    Thymoquinone is a phytochemical compound found in the plant Nigella sativa. It is also found in select cultivated Monarda fistulosa plants grown and steam distilled in the USA producing an essential oil.

    Basic Info

    Chemical Name 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
    Synonyms

    5-Isopropyl-2-methyl-1,4-benzoquinone;
    Thymoquinone;
    2-methyl-5-isopropyl-1,4-benzoquinone;
    2-Isopropyl-5-methylbenzoquinone;
    p-Cymene-2,5-dione;
    2-Isopropyl-5-methylcyclohexa-2,5-diene-1,4-dione;
    2-Isopropyl-5-methyl-1,4-benzoquinone;
    Thymoquinon;
    2-isopropyl-5-methyl-p-benzoquinone;
    p-Mentha-3,6-diene-2,5-dione;
    2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-(1-methylethyl)-;
    2-Isopropyl-5-methylbenzo-1,4-quinone;
    2-isopropyl-5-methyl-para-benzoquinone;

    CAS No. 490-91-5
    Molecular Formula C10H12O2
    Molecular Weight 164.20100
    PSA 34.14000
    LogP 1.66690

    Properties

    Appearance & Physical State orange to brown crystals
    Density 1.065 g/cm3
    Boiling Point 232ºC at 760 mmHg
    Melting Point 45-47ºC(lit.)
    Flash Point 103.9ºC
    Refractive Index 1.504
    Vapor Pressure 0.0603mmHg at 25°C

    Safety Info

    RTECS GU5330000
    Safety Statements S26; S36
    HS Code 2914690090
    WGK Germany 3
    Risk Statements R22
    Hazard Codes Xn

    Synthesis Route

    carvacrol2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
    thymol2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
    thymol2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione+3-hydroxy-5-isopropyl-2-methyl-[1,4]benzoquinone

    GC Analysis

    Column type Active phase Temperature (°C) Retention Index (I) Temperature Control Method
    Capillary HP-5MS - 1260. temperature ramp
    Capillary RTX-1 - 1216. temperature ramp
    Capillary HP-5MS - 1252. temperature ramp
    Capillary DB-1 - 1251. temperature ramp
    Capillary DB-5 - 1249. temperature ramp

    Toxicity

    Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
    Intraperitoneal LD50 - Lethal dose, 50 percent kill Rodent - rat 10 mg/kg 1.Details of toxic effects not reported other than lethal dose value
    - Mutation in microorganisms - 20 nmol/plate -

    Precursor

    carvacrol
    thymol
    2-methyl-5-propan-2-ylbenzene-1,4-diol
    2-isopropyl-5-methyl-p-phenylenediamine

    Downstream Product

    (4E)-4-(Hydroxyimino)-2-isopropyl-5-methyl-2,5-cyclohexadien-1-on e
    3-bromo-2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
    thymol
    2-Isopropyl-5-methyl-1,4-benzochinon-4-(sulfamidophenyl)imin

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